4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide

C16H14Cl2FNO2 — CID 2227430

IUPAC4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C16H14Cl2FNO2/c17-11-7-8-15(12(18)10-11)22-9-3-6-16(21)20-14-5-2-1-4-13(14)19/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)
InChIKeyDTTQYUASGMYREQ-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.93
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide

4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide (PubChem CID 2227430) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide
PubChem CID2227430
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C16H14Cl2FNO2/c17-11-7-8-15(12(18)10-11)22-9-3-6-16(21)20-14-5-2-1-4-13(14)19/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)
InChIKeyDTTQYUASGMYREQ-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide (CID 2227430) is 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1F.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide?
The InChIKey is DTTQYUASGMYREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c17-11-7-8-15(12(18)10-11)22-9-3-6-16(21)20-14-5-2-1-4-13(14)19/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide has a molecular weight of 342.20 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)butanamide is sourced from PubChem (CID 2227430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).